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CAS 17289-53-1 2-(DIETHYLAMINO)-N-(2,4-DIMETHYLPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 17289-53-1

2-(DIETHYLAMINO)-N-(2,4-DIMETHYLPHENYL)ACETAMIDE

  • Product code: SSC-075963
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17289-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17289-53-1 / 2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide

Standard CAS: 17289-53-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17289-53-1
Multi CAS
No
Molecular Formula
C14H22N2O
Molecular Weight
234.340000
Exact Mass
234.173213
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C14H22N2O/c1-5-16(6-2)10-14(17)15-13-8-7-11(3)9-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKey
NCOAXMSOFNEVJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.33
TPSA
32.34

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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